On the Deenition and the Construction of Pockets in Macromolecules

نویسندگان

  • Herbert Edelsbrunner
  • Michael Facello
  • Jie Liang
چکیده

The shape of a protein is important for its functions. This includes the location and size of identiiable regions in its complement space. We formally deene pockets as regions in the complement with limited accessibility from the outside. Pockets can be eeciently constructed by an algorithm based on alpha complexes. The algorithm is implemented and applied to proteins with known three-dimensional conformations.

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تاریخ انتشار 1995